ergo
RadialGrid Class Reference

A grid describing a radial grid for an atom with a specific charge. More...

Public Member Functions

 RadialGrid (int charge_, RadialScheme *rs, int angMin, int angMax)
 
int getCharge () const
 
real getRadius () const
 
unsigned getPointCount () const
 
 ~RadialGrid ()
 

Public Attributes

realrad
 Array of radial grid points. More...
 
realweights
 Array of the weights associated with the grid points. More...
 
int * nAngular
 array of sizes of corresponding angular grids. More...
 
int noOfRadPoints
 

Protected Member Functions

void setAngularFixed (int minAng, int maxAng)
 

Private Attributes

int charge
 

Detailed Description

A grid describing a radial grid for an atom with a specific charge.

Constructor & Destructor Documentation

◆ RadialGrid()

RadialGrid::RadialGrid ( int  charge_,
RadialScheme rs,
int  angMin,
int  angMax 
)

◆ ~RadialGrid()

RadialGrid::~RadialGrid ( )
inline

Member Function Documentation

◆ getCharge()

int RadialGrid::getCharge ( ) const
inline

References charge.

Referenced by AtomicGrid::charge().

◆ getPointCount()

unsigned RadialGrid::getPointCount ( ) const
inline

◆ getRadius()

real RadialGrid::getRadius ( ) const
inline

◆ setAngularFixed()

void RadialGrid::setAngularFixed ( int  minAng,
int  maxAng 
)
protected

Member Data Documentation

◆ charge

int RadialGrid::charge
private

Referenced by setAngularFixed().

◆ nAngular

int* RadialGrid::nAngular

array of sizes of corresponding angular grids.

Referenced by RadialGrid(), Stream::saveAtomGridInBox(), and setAngularFixed().

◆ noOfRadPoints

int RadialGrid::noOfRadPoints

◆ rad

real* RadialGrid::rad

Array of radial grid points.

Referenced by RadialGrid(), Stream::saveAtomGridInBox(), and setAngularFixed().

◆ weights

real* RadialGrid::weights

Array of the weights associated with the grid points.

Referenced by RadialGrid(), and Stream::saveAtomGridInBox().


The documentation for this class was generated from the following file: